SCHEMBL7004450

SCHEMBL7004450

CCOC(=O)C1(n2cc(Cc3cncnc3)c(=O)[nH]c2=S)CC1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
PLA2G7 Q13093 3/20 0.31
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
MEN1 O00255 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7093582 0.77 KMT2A (0.42) KMT2ATDP1PLA2G7PDE3BPDE3A
SCHEMBL7012186 0.76 PLA2G7 (0.35) KMT2ATDP1PLA2G7PDE3BPDE3A
SCHEMBL7006492 0.73 TNF (0.40) KMT2ATDP1PLA2G7
SCHEMBL7530971 0.73 ALDH1A1 (0.43) KMT2ATDP1PDE3BPDE3AMEN1
SCHEMBL7010694 0.72 RECQL (0.42) KMT2APLA2G7PDE3BPDE3AMEN1
SCHEMBL7012983 0.72 EP300 (0.40) PLA2G7
SCHEMBL7013475 0.71 PLA2G7 (0.39) PLA2G7
SCHEMBL7011062 0.71 PLA2G7 (0.46) KMT2APLA2G7PDE3BPDE3AMEN1
SCHEMBL7009288 0.70 ALOX5 (0.41) PDE3BPDE3AKDM4EMAPT
SCHEMBL7585226 0.70 PLA2G7 (0.38) PLA2G7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028955-B1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 2003-07-16 EP disclosed
US-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them HICKEY DEIRDRE MARY BERNADETTE (GB) 2002-08-29 US disclosed
US-6417192-B1 DRUGS WITH PYRIMIDONE COMPOUNDS INHIBITORS OF THE ENZYME LDL PLA.SUB.2 AND THEREFORE OF USE IN TREATING ATHEROSCLEROSIS. SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-09 US disclosed
EP-1028955-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SmithKline Beecham p.l.c. (GB) 2000-08-23 EP disclosed
WO-1999024420-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 1999-05-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them PLA2G7, PLA2G1B, PLA2G4C KMT2A 3285/4885TDP1 940/4885PLA2G7 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.